Ethylparaben

别名: NSC23514; NSC 23514; Ethylparaben 对羟基苯甲酸乙酯;尼泊金乙酯;对羟基苯甲酸乙酯(尼泊金乙酯);尼泊金A;尼泊金,A4-羟基苯甲酸乙酯;4-羟基苯甲酸乙酯;对羟基安息香酸乙酯;苯乙酯;乙基-4-羟基苯甲酸酯;对羟基苯甲酸乙酯(标准品);尼泊金乙;4-羟基苯甲酸乙酯[生物学研究用];·       尼泊金乙酯;Ethyl 4-Hydroxybenzoate 4-羟基苯甲酸乙酯;Ethyl 4-Hydroxybenzoate [for Biochemical Research] 4-羟基苯甲酸乙酯[生物学研究用]; p-羟基苯甲酸乙酯; 品牌 对羟基苯甲酸乙酯对照品;对羟基苯甲酸乙脂;对羟基苯甲酸乙酯 EP标准品;对羟基苯甲酸乙酯 标准品;对羟基苯甲酸乙酯 尼泊金乙酯;对羟基苯甲酸乙酯,Ethyl p-hydroxybenzoate
目录号: V16766 纯度: ≥98%
对羟基苯甲酸乙酯是对羟基苯甲酸酯的乙酯,用作抗真菌防腐剂和食品添加剂。
Ethylparaben CAS号: 120-47-8
产品类别: New1
产品仅用于科学研究,不针对患者销售
规格 价格 库存 数量
100mg
Other Sizes

Other Forms of Ethylparaben:

  • Ethylparaben-d4 (Ethyl parahydroxybenzoate-d4; Ethyl 4-hydroxybenzoate-d4)
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InvivoChem产品被CNS等顶刊论文引用
产品描述
对羟基苯甲酸乙酯是对羟基苯甲酸酯的乙酯,用作抗真菌防腐剂和食品添加剂。
生物活性&实验参考方法
体外研究 (In Vitro)
对羟基苯甲酸乙酯 (0-20 mg/mL) 对多种病原体具有抗菌和抗真菌特性 [1]。
体内研究 (In Vivo)
对羟基苯甲酸乙酯(0-40 mg/kg,灌胃)会提高雌激素反应基因的水平和 SD 雌激素的雌激素重量 [1]。
药代性质 (ADME/PK)
Absorption, Distribution and Excretion
By the oral route, parabens are rapidly absorbed, metabolized, and excreted. The metabolic reactions and conversions in mammals vary with the chain length of the ester, the animal species, route of administration, and quantity tested. The metabolism of parabens in humans appears to be most closely related to that of dogs. The rate of metabolite excretion appears to decrease with increasing molecular weight of the ester. /4-Hydroxybenzoates (Parabens)/
... Deposition of parabens in dogs. Urine recoveries ranged from 50-95% except for butyl ester for which recoveries were 40%. /It/... was concluded that esters are well absorbed and that hydrolysis of ester linkage and metabolic conjugation constitute chief route of elimination. Similar metabolic scheme ... in man. /Parabens/
The permeation of methylparaben, ethylparaben, propylparaben, and butylparaben through untreated and lipid-depleted excised guinea pig dorsal skin, and the effects of 3 penetration enhancers, N-dodecyl-2-pyrrolidone (lauryl pyrrolidone), ethyl alcohol (ethanol), and a mixture of menthol (l-menthol) and ethyl alcohol, on the permeation of the parabens were studied; the relationship between the permeability and octyl alcohol (n-octanol)/water partition coefficients of the parabens, and the effect of the penetration enhancers on the fluidity of the lipid bilayer of liposomes containing stratum corneum lipids were also examined. Permeability coefficients of the parabens correlated with their octyl alcohol/water partition coefficients in untreated guinea pig skin. In lipid-depleted guinea pig skin, permeability coefficients of the parabens increased and did not correlate with their octyl alcohol/water partition coefficients. The effect of the penetration enhancers on the permeation of the parabens was variable. The penetration enhancers increased the fluidity of liposome lipid bilayers.
After ethyl paraben is intravenously infused into the dog, unhydrolyzed ethyl paraben is found only in the brain. In liver, kidney, and muscle, it is immediately hydrolyzed to p-hydroxybenzoic acid. Six hours after oral administration of 1.0 g/kg to dogs, the peak plasma concentration of free and total ethyl paraben (427 and 648 ug/cu cm, respectively) is reached. After 48 hr, all ethyl paraben is completely eliminated.
Metabolism / Metabolites
Yields p-hydroxybenzoic acid in pig and in Aspergillus. /from table/
/Paraben/ ... esters are well absorbed and hydrolysis of ester linkage and metabolic conjugation constitute chief route of elimination /in dogs/. Similar metabolic scheme was observed in man. /Paraben esters/
Urine from cats who had received (14)C-labeled ethyl-p-hydroxybenzoate, orally contained 2 major metabolites, p-hydroxyhippuric acid and free p-hydroxybenzoic acid.
In mice, rats, rabbits, pigs, or dogs, ethyl paraben is excreted in the urine as unchanged benzoate, p-hydroxybenzoic acid, p-hydroxyhippuric acid (p-hydroxybenzoylglycine), ester glucuronides, ether glucuronides, or ether sulfates.
For more Metabolism/Metabolites (Complete) data for ETHYLPARABEN (7 total), please visit the HSDB record page.
Ethyl-4-hydroxybenzoate has known human metabolites that include (2S,3S,4S,5R)-6-(4-ethoxycarbonylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
毒性/毒理 (Toxicokinetics/TK)
Toxicity Summary
IDENTIFICATION AND USE: Ethylparaben forms small colorless crystals, or white powder. Ethylparaben inhibits the growth of fungi and bacteria and is used as a preservative for pharmaceuticals, adhesives, and various cosmetic preparations. HUMAN EXPOSURE AND TOXICITY: Ethylparaben was a skin irritant in man. It gave no evidence of sensitizing potential in a human study. The paraben esters as a generic class are rare sensitizers when applied to the intact skin of man. Application to the damaged skin is a more common cause of sensitization. A methyl:ethyl:propylparaben mixture has been shown on oral administration to exacerbate pre-existing skin complaints. ANIMAL STUDIES: Ethylparaben was an eye irritant in rabbits. A low acute oral toxicity has been demonstrated for ethylparaben in laboratory animals. Limited long-term studies in rats have also indicated a low toxicity and have generated no evidence of carcinogenic activity. Ethylparaben in the diet produced cell proliferation in the forestomach of rats. No evidence of mutagenicity was reported in limited Ames Bacterial tests. Ethylparaben did increase chromosomal aberrations in a Chinese Hamster ovary cell assay, but similar effects were not seen in rats treated with ethylparaben. Fetal toxicity at maternally toxic dose levels occurred in female rats treated orally during pregnancy. Ethylparaben was nonteratogenic in rats. In one in vitro study, sperm were not viabile at concentrations as low as 8 mg/mL for Ethylparaben, but an in vivo study of 0.1% or 1.0% for Ethylparaben in the diet of mice reported no spermatotoxic effects.
Interactions
The biological fates of ethyl paraben after the simultaneous administration with salicylic acid were different from those of ethyl paraben alone as reported in the previous reports. The excretion of unconjugated p-hydroxybenzoic acid, which is a hydrolyzed product of ethyl paraben, increased and those of p-hydroxyhippuric acid, glycine conjugate of p-hydroxybenzoic acid, and p-hydroxybenzoyl glucuronide, its ester type glucuronide, decreased. The blood concentration patterns were considerably different from those of ethyl paraben alone, especially the elimination of every metabolite was delayed. Pharmacokinetic analyses on the data of blood concentration were carried out and the results also show the interaction of salicylic acid on the biological fate of ethyl paraben.
Non-Human Toxicity Values
LD50 Rat (female) oral 4.30 g/kg
LD50 Rat oral 11.0 g/kg
LD50 Guinea pig oral 2.0 g/kg /From table/
LD50 Rabbit oral 5.0 g/kg /From table/
For more Non-Human Toxicity Values (Complete) data for ETHYLPARABEN (9 total), please visit the HSDB record page.
参考文献

[1]. The estrogenicity of methylparaben and ethylparaben at doses close to the acceptable daily intake in immature Sprague-Dawley rats. Sci Rep. 2016 Apr 28;6:25173.

[2]. Identification of ethylparaben as the antimicrobial substance produced by Brevibacillus brevis FJAT-0809-GLX. Microbiol Res. 2015 Mar;172:48-56.

其他信息
Ethylparaben is an ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol, It has a role as an antimicrobial food preservative, an antifungal agent, a plant metabolite and a phytoestrogen. It is a paraben and an ethyl ester.
Ethylparaben is a Standardized Chemical Allergen. The physiologic effect of ethylparaben is by means of Increased Histamine Release, and Cell-mediated Immunity.
Ethylparaben has been reported in Aeschynanthus bracteatus, Inula salsoloides, and other organisms with data available.
Ethylparaben is found in alcoholic beverages. Ethylparaben is an antimicrobial agent, preservative. Ethylparaben is present in red wine, white wine and sake. Ethylparaben belongs to the family of Hydroxybenzoic Acid Derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.
Ethyl-4-hydroxybenzoate is a metabolite found in or produced by Saccharomyces cerevisiae.
*注: 文献方法仅供参考, InvivoChem并未独立验证这些方法的准确性
化学信息 & 存储运输条件
分子式
C9H10O3
分子量
166.18
精确质量
166.062
CAS号
120-47-8
相关CAS号
Ethylparaben-d4;1219795-53-5
PubChem CID
8434
外观&性状
White to off-white solid powder
密度
1.2±0.1 g/cm3
沸点
297.5±0.0 °C at 760 mmHg
熔点
114-117 °C(lit.)
闪点
120.3±12.6 °C
蒸汽压
0.0±0.6 mmHg at 25°C
折射率
1.539
LogP
2.4
tPSA
46.53
氢键供体(HBD)数目
1
氢键受体(HBA)数目
3
可旋转键数目(RBC)
3
重原子数目
12
分子复杂度/Complexity
148
定义原子立体中心数目
0
InChi Key
NUVBSKCKDOMJSU-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
化学名
ethyl 4-hydroxybenzoate
别名
NSC23514; NSC 23514; Ethylparaben
HS Tariff Code
2934.99.9001
存储方式

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

运输条件
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
溶解度数据
溶解度 (体外实验)
DMSO : ~100 mg/mL (~601.79 mM)
溶解度 (体内实验)
配方 1 中的溶解度: ≥ 2.5 mg/mL (15.04 mM) (饱和度未知) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。
例如,若需制备1 mL的工作液,可将100 μL 25.0 mg/mL澄清DMSO储备液加入到400 μL PEG300中,混匀;然后向上述溶液中加入50 μL Tween-80,混匀;加入450 μL生理盐水定容至1 mL。
*生理盐水的制备:将 0.9 g 氯化钠溶解在 100 mL ddH₂O中,得到澄清溶液。

配方 2 中的溶解度: ≥ 2.5 mg/mL (15.04 mM) (饱和度未知) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。
例如,若需制备1 mL的工作液,可将 100 μL 25.0 mg/mL澄清DMSO储备液加入900 μL 20% SBE-β-CD生理盐水溶液中,混匀。
*20% SBE-β-CD 生理盐水溶液的制备(4°C,1 周):将 2 g SBE-β-CD 溶解于 10 mL 生理盐水中,得到澄清溶液。

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配方 3 中的溶解度: ≥ 2.5 mg/mL (15.04 mM) (饱和度未知) in 10% DMSO + 90% Corn Oil (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。
例如,若需制备1 mL的工作液,可将 100 μL 25.0 mg/mL 澄清 DMSO 储备液加入到 900 μL 玉米油中并混合均匀。


请根据您的实验动物和给药方式选择适当的溶解配方/方案:
1、请先配制澄清的储备液(如:用DMSO配置50 或 100 mg/mL母液(储备液));
2、取适量母液,按从左到右的顺序依次添加助溶剂,澄清后再加入下一助溶剂。以 下列配方为例说明 (注意此配方只用于说明,并不一定代表此产品 的实际溶解配方):
10% DMSO → 40% PEG300 → 5% Tween-80 → 45% ddH2O (或 saline);
假设最终工作液的体积为 1 mL, 浓度为5 mg/mL: 取 100 μL 50 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中,混合均匀/澄清;向上述体系中加入50 μL Tween-80,混合均匀/澄清;然后继续加入450 μL ddH2O (或 saline)定容至 1 mL;

3、溶剂前显示的百分比是指该溶剂在最终溶液/工作液中的体积所占比例;
4、 如产品在配制过程中出现沉淀/析出,可通过加热(≤50℃)或超声的方式助溶;
5、为保证最佳实验结果,工作液请现配现用!
6、如不确定怎么将母液配置成体内动物实验的工作液,请查看说明书或联系我们;
7、 以上所有助溶剂都可在 Invivochem.cn网站购买。
制备储备液 1 mg 5 mg 10 mg
1 mM 6.0176 mL 30.0879 mL 60.1757 mL
5 mM 1.2035 mL 6.0176 mL 12.0351 mL
10 mM 0.6018 mL 3.0088 mL 6.0176 mL

1、根据实验需要选择合适的溶剂配制储备液 (母液):对于大多数产品,InvivoChem推荐用DMSO配置母液 (比如:5、10、20mM或者10、20、50 mg/mL浓度),个别水溶性高的产品可直接溶于水。产品在DMSO 、水或其他溶剂中的具体溶解度详见上”溶解度 (体外)”部分;

2、如果您找不到您想要的溶解度信息,或者很难将产品溶解在溶液中,请联系我们;

3、建议使用下列计算器进行相关计算(摩尔浓度计算器、稀释计算器、分子量计算器、重组计算器等);

4、母液配好之后,将其分装到常规用量,并储存在-20°C或-80°C,尽量减少反复冻融循环。

计算器

摩尔浓度计算器可计算特定溶液所需的质量、体积/浓度,具体如下:

  • 计算制备已知体积和浓度的溶液所需的化合物的质量
  • 计算将已知质量的化合物溶解到所需浓度所需的溶液体积
  • 计算特定体积中已知质量的化合物产生的溶液的浓度
使用摩尔浓度计算器计算摩尔浓度的示例如下所示:
假如化合物的分子量为350.26 g/mol,在5mL DMSO中制备10mM储备液所需的化合物的质量是多少?
  • 在分子量(MW)框中输入350.26
  • 在“浓度”框中输入10,然后选择正确的单位(mM)
  • 在“体积”框中输入5,然后选择正确的单位(mL)
  • 单击“计算”按钮
  • 答案17.513 mg出现在“质量”框中。以类似的方式,您可以计算体积和浓度。

稀释计算器可计算如何稀释已知浓度的储备液。例如,可以输入C1、C2和V2来计算V1,具体如下:

制备25毫升25μM溶液需要多少体积的10 mM储备溶液?
使用方程式C1V1=C2V2,其中C1=10mM,C2=25μM,V2=25 ml,V1未知:
  • 在C1框中输入10,然后选择正确的单位(mM)
  • 在C2框中输入25,然后选择正确的单位(μM)
  • 在V2框中输入25,然后选择正确的单位(mL)
  • 单击“计算”按钮
  • 答案62.5μL(0.1 ml)出现在V1框中
g/mol

分子量计算器可计算化合物的分子量 (摩尔质量)和元素组成,具体如下:

注:化学分子式大小写敏感:C12H18N3O4  c12h18n3o4
计算化合物摩尔质量(分子量)的说明:
  • 要计算化合物的分子量 (摩尔质量),请输入化学/分子式,然后单击“计算”按钮。
分子质量、分子量、摩尔质量和摩尔量的定义:
  • 分子质量(或分子量)是一种物质的一个分子的质量,用统一的原子质量单位(u)表示。(1u等于碳-12中一个原子质量的1/12)
  • 摩尔质量(摩尔重量)是一摩尔物质的质量,以g/mol表示。
/

配液计算器可计算将特定质量的产品配成特定浓度所需的溶剂体积 (配液体积)

  • 输入试剂的质量、所需的配液浓度以及正确的单位
  • 单击“计算”按钮
  • 答案显示在体积框中
动物体内实验配方计算器(澄清溶液)
第一步:请输入基本实验信息(考虑到实验过程中的损耗,建议多配一只动物的药量)
第二步:请输入动物体内配方组成(配方适用于不溶/难溶于水的化合物),不同的产品和批次配方组成不同,如对配方有疑问,可先联系我们提供正确的体内实验配方。此外,请注意这只是一个配方计算器,而不是特定产品的确切配方。
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计算结果:

工作液浓度 mg/mL;

DMSO母液配制方法 mg 药物溶于 μL DMSO溶液(母液浓度 mg/mL)。如该浓度超过该批次药物DMSO溶解度,请首先与我们联系。

体内配方配制方法μL DMSO母液,加入 μL PEG300,混匀澄清后加入μL Tween 80,混匀澄清后加入 μL ddH2O,混匀澄清。

(1) 请确保溶液澄清之后,再加入下一种溶剂 (助溶剂) 。可利用涡旋、超声或水浴加热等方法助溶;
            (2) 一定要按顺序加入溶剂 (助溶剂) 。

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